SCHEMBL961645

SCHEMBL961645

CC([C]=O)(CO)CO

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL56766 0.73
SCHEMBL2190608 0.71
SCHEMBL270155 0.69
SCHEMBL9058110 0.69
SCHEMBL14843502 0.67
SCHEMBL3493461 0.67
SCHEMBL2372013 0.67
SCHEMBL21751470 0.67
SCHEMBL4257793 0.65
SCHEMBL11189004 0.65 FDPS (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049781-A1 HSP90 INHIBITOR COMBINATIONS NOVARTIS AG (CH) 2017-02-23 US claimed
EP-2370076-B1 Pharmaceutical combination comprising a Hsp 90 inhibitor and a mTOR inhibitor NOVARTIS AG (CH) 2017-01-04 EP claimed
CN-105727297-A PHARMACEUTICAL COMBINATION COMPRISING A HSP90 INHIBITOR AND A MTOR INHIBITOR 诺华股份有限公司 2016-07-06 CN claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP claimed
US-20140242088-A1 Hsp90 inhibitor combinations NOVARTIS AG (CH) 2014-08-28 US claimed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO claimed
US-20120232011-A1 Use of Rapamycin and Rapamycin Derivatives for the Treatment of Bone Loss KNEISSEL MICHAELA (CH) 2012-09-13 US claimed
EP-2370076-A2 PHARMACEUTICAL COMBINATION COMPRISING A HSP 90 INHIBITOR AND A MTOR INHIBITOR Novartis AG (CH) 2011-10-05 EP claimed
US-20110230444-A1 PHARMACEUTICAL COMBINATION COMPRISING A HSP 90 INHIBITOR AND A MTOR INHIBITOR NOVARTIS AG (CH) 2011-09-22 US claimed
EP-1608368-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING A COMBINATION OF RAPAMYCIN OR ITS DERIVATIVE AND PIMECROLIMUS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE (IBD) NOVARTIS AG (CH) 2008-10-01 EP claimed
EP-1880723-A1 Combination of mTOR inhibitor and antifolate compound Novartis AG (CH) 2008-01-23 EP claimed
US-20060173033-A1 Use of rapamycin and rapamycin derivatives for the treatment of bone loss KNEISSEL MICHAELA 2006-08-03 US claimed
US-20060154952-A1 Pharmaceutical compositions comprising a combination of rapamycin or its derivative and pimecrolimus for the treatment of inflammation-and ummunologically-mediated diseases MOORE HENRIETTA 2006-07-13 US claimed
EP-1646634-A1 USE OF RAPAMYCIN AND RAPAMYCIN DERIVATIVES FOR THE TREATMENT OF BONE LOSS Novartis AG (CH) 2006-04-19 EP claimed
EP-1608368-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A COMBINATION OF RAPAMYCIN OR ITS DERIVATIVE AND PIMECROLIMUS FOR THE TREATMENT OF INFLAMMATION- AND UMMUNOLOGICALLY-MEDIATED DISEASES Novartis AG (CH) 2005-12-28 EP claimed
WO-2005049021-A1 MATERIALS AND METHODS FOR INHIBITING NEOINTIMAL HYPERPLASIA OY HELSINKI TRANSPLANTATION R & D LTD (FI) 2005-06-02 WO claimed
WO-2005005434-A1 USE OF RAPAMYCIN AND RAPAMYCIN DERIVATIVES FOR THE TREATMENT OF BONE LOSS NOVARTIS AG (CH) 2005-01-20 WO claimed
WO-2004082681-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A COMBINATION OF RAPAMYCIN OR ITS DERIVATIVE AND PIMECROLIMUS FOR THE TREATMENT OF INFLAMMATION- AND UMMUNOLOGICALLY-MEDIATED DISEASES NOVARTIS AG (CH) 2004-09-30 WO claimed
EP-0119675-A1 Hydrocarbyl-substituted mono and bis succinimide having polyamine chain linked hydroxyacyl radicals and mineral oil compositions containing same TEXACO DEVELOPMENT CORPORATION (US) 1984-09-26 EP claimed